2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone

C16H25NO2S — CID 116750268

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2nc(C)c(C)s2)CCC(C)(C)CC1
InChIInChI=1S/C16H25NO2S/c1-11-12(2)20-14(17-11)10-13(18)16(19-5)8-6-15(3,4)7-9-16/h6-10H2,1-5H3
InChIKeyBTVYIVGEOZRIRC-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.86
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone (PubChem CID 116750268) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
PubChem CID116750268
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2nc(C)c(C)s2)CCC(C)(C)CC1
InChIInChI=1S/C16H25NO2S/c1-11-12(2)20-14(17-11)10-13(18)16(19-5)8-6-15(3,4)7-9-16/h6-10H2,1-5H3
InChIKeyBTVYIVGEOZRIRC-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone (CID 116750268) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone is COC1(C(=O)Cc2nc(C)c(C)s2)CCC(C)(C)CC1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The InChIKey is BTVYIVGEOZRIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11-12(2)20-14(17-11)10-13(18)16(19-5)8-6-15(3,4)7-9-16/h6-10H2,1-5H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone has a molecular weight of 295.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone is sourced from PubChem (CID 116750268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).